SCHEMBL3707076

SCHEMBL3707076

CC(C)S(=O)(=O)c1ccccc1C(=O)O

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA1 P00915 2/20 0.55
CA2 P00918 2/20 0.55
MMP1 P03956 1/20 0.55
MMP2 P08253 1/20 0.55
MMP9 P14780 1/20 0.55
MMP8 P22894 1/20 0.55
MMP13 P45452 1/20 0.55
SMN1; SMN2 Q16637 2/20 0.51
TSHR P16473 1/20 0.51
CA12 O43570 6/20 0.50
CA9 Q16790 6/20 0.50
F2 P00734 3/20 0.50
PRSS1 P07477 3/20 0.50
PRSS2 P07478 3/20 0.50
PRSS3 P35030 3/20 0.50
ALOX15 P16050 2/20 0.48
ALDH1A1 P00352 2/20 0.48
FABP4 P15090 3/20 0.47
FABP3 P05413 1/20 0.47
FABP5 Q01469 1/20 0.47

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL10590319 0.87 CA1 (0.53) CA1CA2MMP1MMP2MMP9
SCHEMBL10944689 0.85 CA1 (0.51) CA1CA2MMP1MMP2MMP9
SCHEMBL4611906 0.85 BCAT2 (0.41) CA1CA2MMP1MMP2MMP9
SCHEMBL363941 0.83 IRAK4 (0.47) CA1CA2TSHRCA12CA9
SCHEMBL8607514 0.83 ALDH1A1 (0.42) CA1CA2MMP1MMP2MMP9
SCHEMBL28987510 0.81 CA1 (0.55) CA1CA2MMP1MMP2MMP9
SCHEMBL14443240 0.80 CA1 (0.65) CA1CA2TSHRCA9ALOX15
SCHEMBL16339817 0.80 LMNA (0.47) CA1CA2MMP1MMP2MMP9
SCHEMBL34748 0.78 BCAT2 (0.62) CA1CA2MMP1MMP2MMP9
SCHEMBL29838630 0.78 BCAT2 (0.62) CA1CA2MMP1MMP2MMP9

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 18 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3551634-A1 SUBSTITUTED PYRAZOLOAZEPIN-8-ONES AND THEIR USE AS PHOSPHODIESTERASE INHIBITORS Leo Pharma A/S (DK) 2019-10-16 EP claimed
EP-3551633-A1 SUBSTITUTED PYRAZOLOAZEPIN-4-ONES AND THEIR USE AS PHOSPHODIESTERASE INHIBITORS Leo Pharma A/S (DK) 2019-10-16 EP claimed
WO-2018108231-A1 SUBSTITUTED PYRAZOLOAZEPIN-8-ONES AND THEIR USE AS PHOSPHODIESTERASE INHIBITORS LEO PHARMA A/S (DK) 2018-06-21 WO claimed
WO-2018108230-A1 SUBSTITUTED PYRAZOLOAZEPIN-4-ONES AND THEIR USE AS PHOSPHODIESTERASE INHIBITORS LEO PHARMA A/S (DK) 2018-06-21 WO claimed
EP-3458447-B1 PIPERAZINYL METHANONE NAAA INHIBITORS UNIV CALIFORNIA (US) 2023-11-29 EP disclosed
US-10556892-B2 Piperazinyl methanone NAAA inhibitors THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2020-02-11 US disclosed
EP-3551634-A1 SUBSTITUTED PYRAZOLOAZEPIN-8-ONES AND THEIR USE AS PHOSPHODIESTERASE INHIBITORS Leo Pharma A/S (DK) 2019-10-16 EP disclosed
EP-3551633-A1 SUBSTITUTED PYRAZOLOAZEPIN-4-ONES AND THEIR USE AS PHOSPHODIESTERASE INHIBITORS Leo Pharma A/S (DK) 2019-10-16 EP disclosed
US-20190177313-A1 PIPERZINYL METHANONE NAAA INHIBITORS FONDAZIONE ISTITUTO ITALIANO DI TECNOLOGIA (IT) 2019-06-13 US disclosed
EP-3458447-A1 PIPERAZINYL METHANONE NAAA INHIBITORS The Regents of The University of California (US) 2019-03-27 EP disclosed
CN-109476616-A Piperazinyl methanone NAAA inhibitor 加利福尼亚大学董事会 2019-03-15 CN disclosed
WO-2018108230-A1 SUBSTITUTED PYRAZOLOAZEPIN-4-ONES AND THEIR USE AS PHOSPHODIESTERASE INHIBITORS LEO PHARMA A/S (DK) 2018-06-21 WO disclosed
WO-2018108231-A1 SUBSTITUTED PYRAZOLOAZEPIN-8-ONES AND THEIR USE AS PHOSPHODIESTERASE INHIBITORS LEO PHARMA A/S (DK) 2018-06-21 WO disclosed
WO-2017201103-A1 PIPERAZINYL METHANONE NAAA INHIBITORS THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2017-11-23 WO disclosed
CN-104837843-A Imidazopyridazine derivatives as GABAA receptor modulators PFIZER 2015-08-12 CN disclosed
EP-2396295-A1 PHENOXY ACETIC ACID DERIVATIVES Merck Serono S.A. (CH) 2011-12-21 EP disclosed
WO-2010092043-A1 PHENOXY ACETIC ACID DERIVATIVES MERCK SERONO S.A. (CH) 2010-08-19 WO disclosed
US-20070078146-A1 Antiinflamamtory agents; antiarthritic agents; inflammatory bowel disorders; multiple sclerosis; asthma PHARMACIA CORPORATION 2007-04-05 US disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (3 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20190177313-A1 PIPERZINYL METHANONE NAAA INHIBITORS NAAA, NAA15, NAA50 CA1 1762/4885CA2 2876/4885MMP1 1234/4885
US-10556892-B2 Piperazinyl methanone NAAA inhibitors NAAA, NAA50, NAA15 CA1 1783/4885CA2 2959/4885MMP1 1107/4885
US-20070078146-A1 Antiinflamamtory agents; antiarthritic agents; inflammatory bowel disorders; multiple sclerosis; asthma MAPK1, MAPK3, MAPK4 CA1 3353/4885CA2 3978/4885MMP1 186/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.